%chk=000042859.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042859

0 1
 Br   4.023000     -0.8808000     -5.0000002E-04
 N    1.118500     -0.4001000      9.9999997E-05
 N   -1.570800     -0.8270000       0.000000    
 N   0.9501000       1.840600      1.9999999E-04
 N   -2.104800       1.355600     -1.9999999E-04
 C   0.2860000      0.7108000       0.000000    
 C   -1.123400      0.4869000       0.000000    
 C   0.6316000      -1.712900      1.9999999E-04
 C  -0.7011000      -1.924500      9.9999997E-05
 C    2.401200      8.2199998E-02  9.9999997E-05
 C   -2.939800     -0.7660000       0.000000    
 C    2.270300       1.455100      1.9999999E-04
 C   -3.240600      0.5800000     -1.9999999E-04
 H    1.346700      -2.525900      3.0000001E-04
 H   -1.138800      -2.915200      9.9999997E-05
 H   -3.560400      -1.651400      9.9999997E-05
 H    3.060500       2.192700      9.9999997E-05
 H   -4.222900       1.030000     -3.0000001E-04


%chk=000042859-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042859

0 1
Br 3.986760 -1.038300 0.000041
N 1.134615 -0.392198 0.000034
N -1.577614 -0.834501 0.000005
N 1.007413 1.903471 0.000004
N -2.182191 1.381034 -0.000105
C 0.283403 0.760042 -0.000013
C -1.133764 0.529075 -0.000037
C 0.653700 -1.708609 0.000087
C -0.699056 -1.925946 0.000070
C 2.447772 0.109134 0.000055
C -2.979792 -0.795423 -0.000022
C 2.346709 1.502331 0.000047
C -3.318512 0.561716 -0.000077
H 1.383411 -2.517587 0.000128
H -1.125328 -2.928660 0.000107
H -3.585038 -1.697605 0.000009
H 3.158185 2.225138 0.000080
H -4.315374 0.996988 -0.000112


